5-甲基-3-苯基異惡唑-4-羧酸(1136-45-4)質(zhì)譜(MS)
InChI:InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKey: PENHKTNQUJMHIR-UHFFFAOYSA-N
Smiles:O1C(C)=C(C(O)=O)C(C2=CC=CC=C2)=N1
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Mass
MS-NW-7772
5-methyl-3-phenyl-4-isoxazolecarboxylic acid
C11H9NO3 (Mass of molecular ion: 203)
Source Temperature: 170 °C
Sample Temperature: 130 °C
Direct, 75 eV
14.0 2.6
15.0 13.9
26.0 3.9
27.0 10.4
28.0 1.4
29.0 3.5
30.0 1.9
31.0 1.3
37.0 3.7
38.0 7.5
39.0 19.4
40.0 2.3
41.0 1.4
42.0 3.6
43.0 87.4
44.0 2.6
45.0 6.0
49.0 2.0
50.0 24.4
51.0 65.9
52.0 8.3
53.0 2.1
54.0 1.0
55.0 1.2
61.0 3.7
62.0 8.8
63.0 17.1
64.0 5.0
65.0 5.7
66.0 4.7
67.0 1.4
68.0 1.9
69.0 5.0
73.0 1.6
74.0 10.1
75.0 11.8
76.0 13.6
77.0 94.6
78.0 10.5
85.0 1.1
86.0 2.4
87.0 4.1
88.0 5.6
89.0 14.4
90.0 6.6
91.0 3.1
92.0 1.1
93.0 38.8
94.0 4.4
98.0 2.0
99.0 1.5
101.0 2.3
102.0 6.0
103.0 6.6
104.0 10.0
105.0 11.0
106.0 1.1
114.0 3.6
115.0 5.8
116.0 17.2
117.0 12.4
118.0 1.6
119.0 1.6
120.0 2.0
126.0 3.7
127.0 5.2
128.0 5.8
129.0 2.2
130.0 1.5
132.0 1.4
142.0 5.5
143.0 25.8
144.0 100.0
145.0 10.8
146.0 2.1
159.0 76.7
160.0 9.6
161.0 6.8
178.0 1.2
188.0 11.5
189.0 1.5
202.0 2.3
203.0 64.7
204.0 8.2
205.0 1.0